2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol

C11H17BrN2OS — CID 742476

IUPAC2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C11H17BrN2OS/c12-11-2-1-10(16-11)9-14-5-3-13(4-6-14)7-8-15/h1-2,15H,3-9H2
InChIKeyGBYCNAMWTHYJKU-UHFFFAOYSA-N
MW305.24 g/mol
LogP1.62
Rot. Bonds4

About 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol

2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 742476) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol
PubChem CID742476
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C11H17BrN2OS/c12-11-2-1-10(16-11)9-14-5-3-13(4-6-14)7-8-15/h1-2,15H,3-9H2
InChIKeyGBYCNAMWTHYJKU-UHFFFAOYSA-N
XLogP1.62
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-Bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677217
1-Acetyl-4-[(5-bromo-2-thienyl)methyl]piperazine
CID 743462
2-[4-[(4-Bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol
CID 2843088
4-[(4-Bromothien-2-YL)methyl]morpholine
CID 783497
2-{[(5-Bromothiophen-2-yl)methyl]amino}ethan-1-ol
CID 28833056
1-[(4-Bromothiophen-2-yl)methyl]piperidin-4-ol
CID 677199
1-[(5-Bromothiophen-2-yl)methyl]piperidin-4-ol
CID 677200
1-[(5-Bromothiophen-2-yl)methyl]-4-ethylpiperazine
CID 763267
2-[4-[(3-Methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol
CID 779464
1-[(5-Bromothiophen-2-yl)methyl]piperidin-3-ol
CID 3787283
1-[(5-Bromothiophen-2-yl)methyl-methylamino]-3-(2-hydroxyethoxy)propan-2-ol
CID 71847948
2-(2-{4-[(4-Bromo-2-thienyl)methyl]-1-piperazinyl}ethoxy)ethanol
CID 29957816

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol (CID 742476) is 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol is OCCN1CCN(Cc2ccc(Br)s2)CC1.
What is the InChIKey of 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is GBYCNAMWTHYJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c12-11-2-1-10(16-11)9-14-5-3-13(4-6-14)7-8-15/h1-2,15H,3-9H2.
What are the key properties of 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol?
2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 305.24 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 742476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).